Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w5r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A N SER 3.A O no hydrogen 2.812 N/A HIS 8.A N GLU 4.A O no hydrogen 2.869 N/A ILE 9.A N GLU 5.A O no hydrogen 2.783 N/A ILE 10.A N GLN 6.A O no hydrogen 2.987 N/A ALA 11.A N GLN 7.A O no hydrogen 3.026 N/A ILE 12.A N HIS 8.A O no hydrogen 2.975 N/A LEU 13.A N ILE 9.A O no hydrogen 3.036 N/A LEU 14.A N ILE 10.A O no hydrogen 3.056 N/A ASP 15.A N ALA 11.A O no hydrogen 3.212 N/A ALA 16.A N ILE 12.A O no hydrogen 2.859 N/A HIS 17.A N LEU 13.A O no hydrogen 2.876 N/A HIS 18.A N LEU 14.A O no hydrogen 2.909 N/A HIS 18.A NE2 GLU 143.A OE1 no hydrogen 3.248 N/A HIS 18.A NE2 GLU 143.A OE2 no hydrogen 3.138 N/A LYS 19.A N ASP 15.A O no hydrogen 2.908 N/A LYS 19.A NZ ASP 15.A OD2 no hydrogen 2.850 N/A THR 20.A N HIS 17.A O no hydrogen 2.847 N/A THR 20.A OG1 ALA 16.A O no hydrogen 2.858 N/A THR 20.A OG1 HIS 17.A O no hydrogen 3.322 N/A TYR 21.A N HIS 17.A O no hydrogen 2.800 N/A TYR 21.A OH TYR 25.A OH no hydrogen 2.657 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.732 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 2.641 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 2.906 N/A TYR 25.A N ASP 22.A O no hydrogen 3.023 N/A TYR 25.A OH TYR 21.A OH no hydrogen 2.657 N/A ALA 26.A N THR 24.A OG1 no hydrogen 3.232 N/A PHE 28.A N TYR 25.A O no hydrogen 2.957 N/A ASP 30.A N ASP 27.A O no hydrogen 3.105 N/A PHE 31.A N PHE 28.A O no hydrogen 3.371 N/A ARG 32.A N ASP 48.A OD1 no hydrogen 2.813 N/A ARG 32.A NE ASP 48.A OD1 no hydrogen 3.202 N/A ARG 32.A NE ASP 48.A OD2 no hydrogen 3.370 N/A ARG 32.A NH1 LYS 229.A O no hydrogen 2.725 N/A ARG 32.A NH2 ASP 48.A OD2 no hydrogen 2.992 N/A ARG 32.A NH2 LYS 229.A O no hydrogen 2.559 N/A ARG 36.A NE ASP 115.A OD2 no hydrogen 3.538 N/A ARG 36.A NH2 ASP 108.A O no hydrogen 2.428 N/A ARG 36.A NH2 LYS 110.A O no hydrogen 3.211 N/A MET 37.A N SER 41.A OG no hydrogen 3.265 N/A SER 38.A OG SER 117.A O no hydrogen 3.346 N/A LEU 40.A N SER 38.A OG no hydrogen 3.070 N/A SER 41.A OG VAL 35.A O no hydrogen 2.698 N/A MET 42.A N LYS 118.A O no hydrogen 2.809 N/A LEU 43.A N LEU 40.A O no hydrogen 3.015 N/A HIS 45.A ND1 ARG 32.A O no hydrogen 2.863 N/A HIS 45.A NE2 TYR 111.A OH no hydrogen 2.808 N/A LEU 46.A N MET 42.A O no hydrogen 2.939 N/A ALA 47.A N LEU 43.A O no hydrogen 2.910 N/A ASP 48.A N PRO 44.A O no hydrogen 3.195 N/A LEU 49.A N HIS 45.A O no hydrogen 2.921 N/A VAL 50.A N LEU 46.A O no hydrogen 2.910 N/A SER 51.A N ALA 47.A O no hydrogen 2.898 N/A SER 51.A OG THR 231.A OG1 no hydrogen 2.627 N/A TYR 52.A N ASP 48.A O no hydrogen 2.787 N/A TYR 52.A OH ASP 27.A OD2 no hydrogen 2.600 N/A SER 53.A N LEU 49.A O no hydrogen 2.807 N/A SER 53.A OG LEU 49.A O no hydrogen 2.780 N/A ILE 54.A N VAL 50.A O no hydrogen 2.773 N/A GLN 55.A N SER 51.A O no hydrogen 3.263 N/A LYS 56.A N TYR 52.A O no hydrogen 3.180 N/A VAL 57.A N SER 53.A O no hydrogen 2.951 N/A ILE 58.A N ILE 54.A O no hydrogen 2.953 N/A GLY 59.A N GLN 55.A O no hydrogen 3.144 N/A PHE 60.A N LYS 56.A O no hydrogen 2.903 N/A ALA 61.A N VAL 57.A O no hydrogen 2.851 N/A LYS 62.A N ILE 58.A O no hydrogen 3.009 N/A MET 63.A N PHE 60.A O no hydrogen 3.130 N/A ILE 64.A N ALA 61.A O no hydrogen 3.011 N/A PHE 67.A N ILE 64.A O no hydrogen 2.844 N/A ASP 69.A N GLY 66.A O no hydrogen 3.121 N/A LEU 70.A N PHE 67.A O no hydrogen 3.324 N/A ASP 74.A N THR 71.A OG1 no hydrogen 3.297 N/A GLN 75.A N THR 71.A O no hydrogen 2.875 N/A ILE 76.A N SER 72.A O no hydrogen 2.656 N/A VAL 77.A N ASP 73.A O no hydrogen 3.025 N/A LEU 78.A N ASP 74.A O no hydrogen 2.866 N/A LEU 79.A N GLN 75.A O no hydrogen 3.088 N/A LYS 80.A N ILE 76.A O no hydrogen 2.998 N/A LYS 80.A NZ VAL 237.A O no hydrogen 2.687 N/A SER 81.A N VAL 77.A O no hydrogen 3.252 N/A SER 81.A OG VAL 77.A O no hydrogen 2.978 N/A SER 81.A OG LEU 78.A O no hydrogen 3.383 N/A SER 82.A N LEU 78.A O no hydrogen 3.113 N/A SER 82.A OG LEU 78.A O no hydrogen 2.708 N/A ALA 83.A N LEU 79.A O no hydrogen 2.961 N/A VAL 86.A N SER 82.A O no hydrogen 2.809 N/A ILE 87.A N ALA 83.A O no hydrogen 2.910 N/A MET 88.A N ILE 84.A O no hydrogen 2.995 N/A LEU 89.A N GLU 85.A O no hydrogen 2.956 N/A ARG 90.A N VAL 86.A O no hydrogen 2.761 N/A ARG 90.A NH1 THR 20.A O no hydrogen 3.395 N/A SER 91.A N ILE 87.A O no hydrogen 3.071 N/A SER 91.A OG ILE 87.A O no hydrogen 3.330 N/A SER 91.A OG MET 88.A O no hydrogen 2.525 N/A ASN 92.A N LEU 89.A O no hydrogen 3.029 N/A ASN 92.A ND2 GLN 133.A O no hydrogen 3.101 N/A ASN 92.A ND2 GLN 133.A OE1 no hydrogen 2.785 N/A GLN 93.A N ARG 90.A O no hydrogen 3.342 N/A GLN 93.A NE2 HIS 17.A NE2 no hydrogen 3.203 N/A SER 94.A N SER 91.A O no hydrogen 3.002 N/A SER 94.A OG SER 91.A O no hydrogen 3.188 N/A PHE 95.A N SER 91.A O no hydrogen 3.125 N/A PHE 95.A N ASN 92.A O no hydrogen 3.123 N/A THR 96.A N SER 101.A O no hydrogen 2.711 N/A SER 101.A N THR 96.A O no hydrogen 3.107 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.328 N/A TRP 102.A N TYR 111.A O no hydrogen 2.661 N/A ASP 103.A N SER 94.A O no hydrogen 2.760 N/A CYS 104.A N TYR 109.A O no hydrogen 2.847 N/A CYS 104.A SG TRP 102.A O no hydrogen 4.031 N/A LYS 110.A N GLN 107.A O no hydrogen 3.305 N/A LYS 110.A NZ ASP 99.A OD2 no hydrogen 2.909 N/A TYR 111.A N TRP 102.A O no hydrogen 2.782 N/A TYR 111.A OH HIS 45.A NE2 no hydrogen 2.808 N/A ASP 112.A N ASP 115.A OD2 no hydrogen 3.091 N/A THR 114.A OG1 ASP 112.A OD2 no hydrogen 3.249 N/A ASP 115.A N ASP 112.A O no hydrogen 3.123 N/A ASP 115.A N ASP 112.A OD2 no hydrogen 3.087 N/A VAL 116.A N ASP 112.A O no hydrogen 2.946 N/A SER 117.A OG VAL 113.A O no hydrogen 2.605 N/A LYS 118.A N ASP 115.A O no hydrogen 2.901 N/A THR 122.A N GLN 216.A OE1 no hydrogen 2.608 N/A GLU 124.A N THR 122.A OG1 no hydrogen 3.284 N/A LEU 125.A N THR 122.A O no hydrogen 2.922 N/A ILE 126.A N THR 122.A O no hydrogen 3.145 N/A GLU 127.A N LEU 123.A O no hydrogen 2.911 N/A LEU 129.A N LEU 125.A O no hydrogen 2.936 N/A ILE 130.A N ILE 126.A O no hydrogen 3.029 N/A LYS 131.A N GLU 127.A O no hydrogen 3.104 N/A LYS 131.A NZ GLU 127.A OE2 no hydrogen 3.361 N/A PHE 132.A N PRO 128.A O no hydrogen 2.789 N/A GLN 133.A N LEU 129.A O no hydrogen 3.022 N/A GLN 133.A NE2 MET 88.A O no hydrogen 2.800 N/A VAL 134.A N ILE 130.A O no hydrogen 2.953 N/A GLY 135.A N LYS 131.A O no hydrogen 2.996 N/A LEU 136.A N PHE 132.A O no hydrogen 2.815 N/A LYS 137.A N GLN 133.A O no hydrogen 2.680 N/A LYS 137.A NZ ASN 92.A O no hydrogen 2.985 N/A LYS 137.A NZ PHE 95.A O no hydrogen 2.739 N/A LYS 138.A N VAL 134.A O no hydrogen 2.807 N/A LEU 139.A N LEU 136.A O no hydrogen 3.138 N/A ASN 140.A N LYS 137.A O no hydrogen 2.861 N/A HIS 142.A N GLU 145.A OE2 no hydrogen 2.737 N/A HIS 142.A ND1 TYR 182.A OH no hydrogen 2.562 N/A GLU 144.A N GLU 144.A OE2 no hydrogen 2.512 N/A HIS 146.A N HIS 142.A O no hydrogen 3.019 N/A VAL 147.A N GLU 143.A O no hydrogen 3.105 N/A LEU 148.A N GLU 144.A O no hydrogen 3.233 N/A LEU 149.A N GLU 145.A O no hydrogen 2.950 N/A MET 150.A N HIS 146.A O no hydrogen 3.165 N/A ALA 151.A N VAL 147.A O no hydrogen 2.965 N/A ILE 152.A N LEU 148.A O no hydrogen 2.780 N/A CYS 153.A N LEU 149.A O no hydrogen 2.810 N/A CYS 153.A SG GLU 85.A OE1 no hydrogen 3.311 N/A ILE 154.A N MET 150.A O no hydrogen 3.032 N/A VAL 155.A N ALA 151.A O no hydrogen 3.042 N/A SER 156.A OG ILE 152.A O no hydrogen 3.140 N/A SER 156.A OG CYS 153.A O no hydrogen 2.911 N/A ARG 159.A N SER 156.A O no hydrogen 3.351 N/A ARG 159.A NH1 GLU 85.A OE1 no hydrogen 3.465 N/A ARG 159.A NH1 GLU 85.A OE2 no hydrogen 2.731 N/A ARG 159.A NH2 GLU 85.A OE1 no hydrogen 2.716 N/A ARG 159.A NH2 CYS 153.A O no hydrogen 3.016 N/A VAL 162.A N ARG 159.A O no hydrogen 3.281 N/A GLN 163.A N ASP 74.A OD2 no hydrogen 2.874 N/A ASP 164.A N ASP 74.A OD1 no hydrogen 3.267 N/A ALA 165.A N GLN 163.A O no hydrogen 2.870 N/A LEU 167.A N ASP 164.A OD1 no hydrogen 2.833 N/A VAL 168.A N ASP 164.A O no hydrogen 3.117 N/A GLU 169.A N ALA 165.A O no hydrogen 2.503 N/A ALA 170.A N LYS 166.A O no hydrogen 2.717 N/A ILE 171.A N LEU 167.A O no hydrogen 2.907 N/A GLN 172.A N VAL 168.A O no hydrogen 2.960 N/A GLN 172.A NE2 ILE 152.A O no hydrogen 2.983 N/A ASP 173.A N GLU 169.A O no hydrogen 2.907 N/A ARG 174.A N ALA 170.A O no hydrogen 3.184 N/A LEU 175.A N ILE 171.A O no hydrogen 3.338 N/A SER 176.A N GLN 172.A O no hydrogen 2.707 N/A SER 176.A OG GLN 172.A O no hydrogen 3.404 N/A ASN 177.A N ASP 173.A O no hydrogen 2.749 N/A THR 178.A N ARG 174.A O no hydrogen 3.150 N/A THR 178.A OG1 ARG 174.A O no hydrogen 2.508 N/A LEU 179.A N LEU 175.A O no hydrogen 2.797 N/A GLN 180.A N SER 176.A O no hydrogen 2.624 N/A THR 181.A N ASN 177.A O no hydrogen 2.962 N/A THR 181.A OG1 ASN 177.A O no hydrogen 2.841 N/A TYR 182.A N THR 178.A O no hydrogen 2.936 N/A TYR 182.A OH HIS 142.A ND1 no hydrogen 2.562 N/A ILE 183.A N LEU 179.A O no hydrogen 3.000 N/A ARG 184.A N GLN 180.A O no hydrogen 3.262 N/A CYS 185.A N THR 181.A O no hydrogen 2.827 N/A CYS 185.A SG THR 181.A O no hydrogen 3.618 N/A ARG 186.A N TYR 182.A O no hydrogen 2.616 N/A HIS 187.A N ILE 183.A O no hydrogen 2.876 N/A HIS 187.A ND1 GLU 145.A OE1 no hydrogen 2.497 N/A HIS 187.A ND1 GLU 145.A OE2 no hydrogen 3.058 N/A HIS 193.A N PRO 190.A O no hydrogen 2.673 N/A GLN 194.A NE2 HIS 193.A NE2 no hydrogen 3.161 N/A LEU 195.A N SER 192.A O no hydrogen 3.122 N/A LYS 198.A N GLN 194.A O no hydrogen 3.003 N/A LYS 198.A NZ HIS 193.A O no hydrogen 3.203 N/A MET 199.A N LEU 195.A O no hydrogen 2.970 N/A ILE 200.A N TYR 196.A O no hydrogen 3.059 N/A GLN 201.A N ALA 197.A O no hydrogen 3.089 N/A LEU 203.A N MET 199.A O no hydrogen 3.272 N/A LEU 203.A N ILE 200.A O no hydrogen 3.080 N/A ALA 204.A N ILE 200.A O no hydrogen 3.318 N/A ALA 204.A N GLN 201.A O no hydrogen 2.897 N/A ASP 205.A N GLN 201.A O no hydrogen 2.930 N/A LEU 206.A N LYS 202.A O no hydrogen 2.956 N/A ARG 207.A N LEU 203.A O no hydrogen 3.295 N/A ARG 207.A NH1 ASP 158.A OD1 no hydrogen 2.788 N/A ARG 207.A NH2 ASP 158.A OD1 no hydrogen 3.008 N/A ARG 207.A NH2 ASP 158.A OD2 no hydrogen 2.766 N/A SER 208.A N ALA 204.A O no hydrogen 3.279 N/A LEU 209.A N ASP 205.A O no hydrogen 2.832 N/A ASN 210.A N LEU 206.A O no hydrogen 2.607 N/A ASN 210.A ND2 SER 81.A O no hydrogen 2.704 N/A ASN 210.A ND2 GLU 85.A OE2 no hydrogen 2.832 N/A GLU 211.A N ARG 207.A O no hydrogen 2.742 N/A GLU 212.A N SER 208.A O no hydrogen 3.059 N/A HIS 213.A N LEU 209.A O no hydrogen 2.905 N/A SER 214.A N ASN 210.A O no hydrogen 2.883 N/A SER 214.A OG ASN 210.A O no hydrogen 3.250 N/A SER 214.A OG ASN 210.A OD1 no hydrogen 3.437 N/A LYS 215.A N GLU 211.A O no hydrogen 3.124 N/A GLN 216.A N GLU 212.A O no hydrogen 2.996 N/A GLN 216.A NE2 GLU 212.A OE1 no hydrogen 2.731 N/A TYR 217.A N HIS 213.A O no hydrogen 2.757 N/A TYR 217.A OH GLY 239.A O no hydrogen 2.777 N/A ARG 218.A N SER 214.A O no hydrogen 3.106 N/A SER 219.A N LYS 215.A O no hydrogen 3.276 N/A LEU 220.A N GLN 216.A O no hydrogen 3.406 N/A SER 221.A N TYR 217.A O no hydrogen 2.862 N/A SER 221.A OG ARG 218.A O no hydrogen 3.077 N/A SER 221.A OG GLU 241.A OE1 no hydrogen 3.520 N/A PHE 222.A N ARG 218.A O no hydrogen 2.947 N/A GLN 223.A N LEU 220.A O no hydrogen 3.368 N/A GLU 225.A N GLU 225.A OE2 no hydrogen 2.945 N/A ASN 226.A N GLN 223.A O no hydrogen 2.722 N/A ASN 226.A ND2 LEU 220.A O no hydrogen 3.383 N/A SER 227.A N GLN 223.A O no hydrogen 3.134 N/A SER 227.A OG PRO 224.A O no hydrogen 3.384 N/A MET 228.A N PRO 224.A O no hydrogen 3.181 N/A LYS 229.A N ASN 226.A O no hydrogen 2.832 N/A LEU 230.A N SER 227.A O no hydrogen 3.430 N/A THR 231.A OG1 SER 51.A OG no hydrogen 2.627 N/A VAL 234.A N THR 231.A OG1 no hydrogen 3.292 N/A LEU 235.A N THR 231.A O no hydrogen 3.020 N/A GLU 236.A N PRO 232.A O no hydrogen 3.007 N/A VAL 237.A N LEU 233.A O no hydrogen 2.943 N/A PHE 238.A N VAL 234.A O no hydrogen 2.863 N/A GLY 239.A N LEU 235.A O no hydrogen 2.984 N/A